Theoretical Investigation of the Size Effect on the Oxygen Adsorption Energy of Coinage Metal Nanoparticles

This study evaluates the finite size effect on the oxygen adsorption energy of coinage metal (Cu, Ag and Au) cuboctahedral nanoparticles in the size range of 13 to 1415 atoms (0.7–3.5\ua0nm in diameter). Trends in particle size effects are well described with single point calculations, in which the metal atoms are frozen in their bulk position and the oxygen atom is added in a location determined from periodic surface calculations. This is shown explicitly for Cu nanoparticles, for which full geometry optimization only leads to a constant offset between relaxed and unrelaxed adsorption energies that is independent of particle size. With increasing cluster size, the adsorption energy converges systematically to the limit of the (211) extended surface. The 55-atomic cluster is an outlier for all of the coinage metals and all three materials show similar behavior with respect to particle size

VC3 - Konzeption und prototypische Realisierung einer Virtual Community im Communication Center-Kontext

aus der Einleitung: "Das Thema Virtual Communities erfreut sich seit einiger Zeit einer beachtlichen Resonanz. Virtual Communities entstehen durch das Zusammentreffen von Internetnutzern, die ähnlichen Interessen nachgehen. Ziel dieser Internetnutzer ist es, miteinander zu kommunizieren und Informationen untereinander auszutauschen. In diesen Gemeinschaften möchte der Internetnutzer nicht nur von Informationen, sondern auch von den Kontakten zu anderen Internetnutzern profitieren.

VC3 - Konzeption und prototypische Realisierung einer Virtual Community im Communication Center-Kontext

aus der Einleitung: "Das Thema Virtual Communities erfreut sich seit einiger Zeit einer beachtlichen Resonanz. Virtual Communities entstehen durch das Zusammentreffen von Internetnutzern, die ähnlichen Interessen nachgehen. Ziel dieser Internetnutzer ist es, miteinander zu kommunizieren und Informationen untereinander auszutauschen. In diesen Gemeinschaften möchte der Internetnutzer nicht nur von Informationen, sondern auch von den Kontakten zu anderen Internetnutzern profitieren.

SoftwareKG-PMC

<p>SoftwareKG-PMC is a Knowledge Graph of Software mentions extracted from articles of the PMC Open Access Dataset.</p><p>Code for Construction and Analysis is provided at https://github.com/f-krueger/SoftwareKG-PMC-Analysis</p><p>This data set contains the CSV based representation of the SoftwareKG knowledge graph.</p><p>Note that the CSV files do not contain information about articles that where only available as pdf, so the overall number of articles considered here is reduced to 3036913.</p>This work was financially supported by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) as part of the projects SFB 1270/2 (grant: 299150580) and ScienceLinker (grant: 404417453). Parts of the computation were done by using a compute cluster funded by DFG (grant: 440623123)

An Open-Source Object-Graph-Mapping Framework for Neo4j and Scala: Renesca

Part 2: Special Session on Privacy Aware Machine Learning for Health Data Science (PAML 2016)International audienceThe usage and application of graph databases is increasing. Many research problems are based on understanding relationships between data entities. This is where graph databases are powerful. Nevertheless, software developers model and think in object-oriented software. Combining both approaches leads to a paradigm mismatch. This mismatch can be addressed by using object graph mappers (OGM). OGM adapt graph databases for object-oriented code, to relieve the developer. Most graph database access frameworks only support table-based result outputs. This defeats one of the strongest purposes of using graph databases. In order to harness both the power of graph databases and object-oriented modeling (e.g. type-safety, inheritance, etc.) we propose an open-source framework with two libraries: (1) renesca, which is a graph database driver providing graph-query-results and change-tracking. (2) renesca-magic, a macro-based ER-modeling domain specific language (DSL). Both were tested in a graph-based application and lead to dramatic improvements in code size (factor 10) and extensibility of the code, with no significant effect on performance